TY - JOUR T1 - Representing clusters using a maximum common edge substructure algorithm applied to reduced graphs and molecular graphs JO - Journal of Chemical Information and Modeling PY - 2007/03/01 AU - Gardiner EJ AU - Gillet VJ AU - Willett P AU - Cosgrove DA ED - DO - DOI: 10.1021/ci600444g VL - 47 IS - 2 SP - 354 EP - 366 Y2 - 2024/12/26 ER -